SCHEMBL6799232

SCHEMBL6799232

CCc1ccc2cc(CC(=O)O)ccc2c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.66
AKR1C2 P52895 2/20 0.66
PTGS1 P23219 1/20 0.66
CYP1A2 P05177 1/20 0.55
CYP2A6 P11509 1/20 0.55
HPGD P15428 5/20 0.52
HSD17B10 Q99714 5/20 0.52
GAA P10253 4/20 0.52
KDM4E B2RXH2 4/20 0.52
TSHR P16473 3/20 0.52
MAPT P10636 3/20 0.52
NFKB1 P19838 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
RGS12 O14924 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
APEX1 P27695 1/20 0.52
THPO P40225 1/20 0.52
BLM P54132 1/20 0.52
GNAI1 P63096 1/20 0.52

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL756841 0.89 PTGS1 (0.71) AKR1C3AKR1C2PTGS1CYP1A2HPGD
SCHEMBL17592476 0.85 PTGS1 (0.62) AKR1C3AKR1C2PTGS1CYP1A2HPGD
SCHEMBL21617912 0.83 PTGS1 (0.63) AKR1C3AKR1C2PTGS1CYP1A2HPGD
SCHEMBL11479830 0.82 PTGS1 (0.64) AKR1C3AKR1C2PTGS1CYP1A2CYP2A6
SCHEMBL8742249 0.82 PTGS1 (0.64) AKR1C3AKR1C2PTGS1HPGDHSD17B10
2-Naphthylacetic Acid SCHEMBL7861322 0.82 NR1H4 (0.67) AKR1C3AKR1C2PTGS1CYP1A2CYP2A6
SCHEMBL1515871 0.82 AKR1B1 (0.58) PTGS1CYP1A2HPGDHSD17B10GAA
SCHEMBL21585550 0.82 PTGS1 (0.62) AKR1C3AKR1C2PTGS1HPGDHSD17B10
2-Naphthylacetic Acid SCHEMBL238445 0.82 NR1H4 (0.71) AKR1C3AKR1C2PTGS1CYP1A2CYP2A6
2-Naphthylacetic Acid SCHEMBL28641469 0.82 NR1H4 (0.71) AKR1C3AKR1C2PTGS1CYP1A2CYP2A6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND MITSUBISHI TANABE PHARMA CORPORATION (JP) 2015-08-27 US disclosed
US-20040063959-A1 Esters and amides as PLA2 inhibitors FUKAMI NAOKI (JP) 2004-04-01 US disclosed
US-20020169326-A1 Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 2002-11-14 US disclosed
EP-0854863-B1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO (JP) 2002-10-30 EP disclosed
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-02-14 US disclosed
CN-1056602-C Esters and amides as PLA2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 2000-09-20 CN disclosed
CN-1197450-A Esters and amides as phospholipase A2 inhibitors FUJISAWA PHARMACEUTICAL CO (JP) 1998-10-28 CN disclosed
EP-0854863-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-07-29 EP disclosed
WO-1997003951-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-06 WO disclosed
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4048330-A Compositions containing 2-(6'-substituted-2'-naphthyl)acetic acid esters used for treating inflammation, pain or pyrexia SYNTEX CORPORATION (US) 1977-09-13 US disclosed
US-4009197-A 2-(6-Substituted-2'-naphthyl) acetic acid derivatives and the salts and esters thereof SYNTEX CORPORATION (PM) 1977-02-22 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3958012-A ANTIINFLAMMATORY, ANALGESIC AND ANTIPYRETIC ACTIVITY SYNTEX CORPORATION (US) 1976-05-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20040063959-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B AKR1C3 813/4885AKR1C2 802/4885PTGS1 163/4885
US-20150239889-A1 PYRAZOLOPYRIMIDINE COMPOUND HIF1AN, EGLN2, EGLN3 AKR1C3 1349/4885AKR1C2 662/4885PTGS1 636/4885
US-20020019416-A1 ESTERS AND AMIDES AS PLA2 INHIBITORS PLA2G4A, PLA2G4B, PLA2G1B AKR1C3 795/4885AKR1C2 777/4885PTGS1 150/4885
US-20020169326-A1 Esters and amides as PLA2 inhibitors PLA2G4A, PLA2G2D, PLA2G4B AKR1C3 733/4885AKR1C2 728/4885PTGS1 167/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.